SCHEMBL31240593

SCHEMBL31240593

Clc1ccnc2[nH]c(-c3ccccc3)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.59
▸ PIM1 P11309 1/20 0.59
▸ CDK9 P50750 1/20 0.59
▸ ADORA2A P29274 2/20 0.56
▸ ADORA1 P30542 2/20 0.56
▸ CCNB2 O95067 2/20 0.56
▸ CDK1 P06493 2/20 0.56
▸ CCNB1 P14635 2/20 0.56
▸ CCNB3 Q8WWL7 2/20 0.56
▸ GSK3A P49840 1/20 0.56
▸ GSK3B P49841 1/20 0.56
▸ CDK5 Q00535 1/20 0.56
▸ CDK5R1 Q15078 1/20 0.56
▸ EGFR P00533 5/20 0.47
▸ MAPK14 Q16539 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GMNN O75496 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PKM P14618 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16041244 1.00 CDC7 (0.59) CDC7PIM1CDK9ADORA2AADORA1
SCHEMBL31240848 0.87 CDC7 (0.59) CDC7PIM1CDK9ADORA2AADORA1
SCHEMBL30570949 0.86 CDC7 (0.52) CDC7PIM1CDK9ADORA2AADORA1
SCHEMBL31240688 0.83 CDK9 (0.50) CDC7PIM1CDK9ADORA2AADORA1
SCHEMBL31240751 0.83 CCNB2 (0.61) CDC7PIM1CDK9CCNB2CDK1
SCHEMBL31240696 0.83 PRMT5 (0.65) CDC7PIM1CDK9
SCHEMBL31240729 0.82 CD74 (0.50) CDC7PIM1CDK9ADORA2AADORA1
SCHEMBL31240680 0.81 CCNB2 (0.58) CDC7PIM1CDK9ADORA2AADORA1
SCHEMBL31240791 0.81 CDC7 (0.53) CDC7PIM1CDK9ADORA2AADORA1
SCHEMBL1777011 0.80 CDC7 (0.56) CDC7PIM1CDK9CCNB2CDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
Send feedback